9RIS

Crystal structure of human IDO1 in complex with iDeg-1

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-10-31
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	105.270, 110.170, 36.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.810 - 2.100
R-factor	0.2081
Rwork	0.207
R-free	0.23610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.648
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.21.2_5419: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.810	48.810	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.212	0.039	1.816
Rmeas	0.221	0.040	1.891
Number of reflections	25397	341	1849
<I/σ(I)>	11
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.998	1.000	0.662

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.66	293	0.05 M MES, 41 % v/v PEG200